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CHEBI:192894 - Oleanolic acid 3-[glucosyl-(1->4)-xyloside]
| Formula | C41H66O12 |
| Net Charge | 0 |
| Average Mass | 750.967 |
| Monoisotopic Mass | 750.45543 |
| SMILES | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| InChI | InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)53-33-31(46)29(44)24(20-50-33)52-34-32(47)30(45)28(43)23(19-42)51-34/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49) |
| InChIKey | LYHMQMDZVIXWAJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cryptomeria (ncbitaxon:3368) | needle (BTO:0000917) | MetaboLights (MTBLS4099) | Strain: Cryptomeria fortunei Hooibrenk |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Oleanolic acid 3-[glucosyl-(1->4)-xyloside] (CHEBI:192894) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 10-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036357 | HMDB |